(3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane

C26H38O2Si2 — CID 102086370

IUPAC(3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
SMILESC#CC(C#CC(C#C)(C#C[Si](CC)(CC)CC)OC)(C#C[Si](CC)(CC)CC)OC
InChIInChI=1S/C26H38O2Si2/c1-11-25(27-9,21-23-29(13-3,14-4)15-5)19-20-26(12-2,28-10)22-24-30(16-6,17-7)18-8/h1-2H,13-18H2,3-10H3
InChIKeyLPBGTZSOZBZGJA-UHFFFAOYSA-N
MW438.76 g/mol
LogP5.13
Rot. Bonds8

About (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane

(3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane (PubChem CID 102086370) has the molecular formula C26H38O2Si2 and a molecular weight of 438.76 g/mol. Its IUPAC name is (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane.

Molecular Properties

Compound Name(3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
PubChem CID102086370
Molecular FormulaC26H38O2Si2
Molecular Weight438.76 g/mol
Exact Mass438.24
IUPAC Name(3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
SMILESC#CC(C#CC(C#C)(C#C[Si](CC)(CC)CC)OC)(C#C[Si](CC)(CC)CC)OC
InChIInChI=1S/C26H38O2Si2/c1-11-25(27-9,21-23-29(13-3,14-4)15-5)19-20-26(12-2,28-10)22-24-30(16-6,17-7)18-8/h1-2H,13-18H2,3-10H3
InChIKeyLPBGTZSOZBZGJA-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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(3R)-3-ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
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Tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
CID 12027346
Tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
CID 12036890
[(3R)-3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 134885025
4,7,13,16-Tetramethoxy-1,4,7,10,13,16-hexakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayne-1,10-diol
CID 138971021
(2-Tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane
CID 154711483
Trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 54445108
Trimethyl-[1-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 57075904
4-[(2-Methylpropan-2-yl)oxy]but-1-ynyl-tri(propan-2-yl)silane
CID 57887482
Dimethyl-(3-methyl-3-trimethylsilyloxypent-4-ynyl)-trimethylsilyloxysilane
CID 87600761
[Ethyl(oxo)silyl]methyl-dimethyl-[methyl-(2-methylbut-3-yn-2-yloxy)-trimethylsilyloxysilyl]oxysilane
CID 90246536

Frequently Asked Questions

What is the IUPAC name of (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane?
The IUPAC name of (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane (CID 102086370) is (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane.
What is the SMILES notation for (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane?
The canonical SMILES for (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane is C#CC(C#CC(C#C)(C#C[Si](CC)(CC)CC)OC)(C#C[Si](CC)(CC)CC)OC.
What is the InChIKey of (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane?
The InChIKey is LPBGTZSOZBZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2Si2/c1-11-25(27-9,21-23-29(13-3,14-4)15-5)19-20-26(12-2,28-10)22-24-30(16-6,17-7)18-8/h1-2H,13-18H2,3-10H3.
What are the key properties of (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane?
(3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane has a molecular weight of 438.76 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane is sourced from PubChem (CID 102086370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).